SCHEMBL948436

SCHEMBL948436

CC(CC=O)NCCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 7/20 0.33
HCAR1 Q9BXC0 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL948473 0.86 TP53 (0.40) TP53FPR2MAPTL3MBTL1GPR119
SCHEMBL949370 0.83 TP53 (0.39) TP53FPR2L3MBTL1GPR119MEN1
SCHEMBL947849 0.82 TP53 (0.37) TP53FPR2MAPTL3MBTL1GPR119
SCHEMBL948340 0.81 TP53 (0.39) TP53FPR2MAPTGPR119HCAR1
SCHEMBL948169 0.79 TP53 (0.40) TP53FPR2ALDH1A1NPC1RAB9A
SCHEMBL949040 0.79 TP53 (0.38) TP53FPR2MAPTGPR119HCAR1
SCHEMBL948909 0.79 TP53 (0.39) TP53FPR2ALDH1A1MAPTMAPK1
SCHEMBL948982 0.79 KDM4E (0.47) TP53GPR119KDM4EPKM
SCHEMBL947774 0.79 TP53 (0.38) TP53FPR2ALDH1A1MAPTL3MBTL1
SCHEMBL950563 0.79 TP53 (0.38) TP53FPR2MAPTGPR119HCAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 TP53 4661/4885FPR2 1192/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TP53 4591/4885FPR2 1283/4885ALDH1A1 2316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.